2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H12Br2N2O — CID 104956264

IUPAC2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-3-2-11(15)6-13(12)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyXNFCOALBOXSNKK-UHFFFAOYSA-N
MW384.07 g/mol
LogP3.85
Rot. Bonds3

About 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide

2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 104956264) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID104956264
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-3-2-11(15)6-13(12)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyXNFCOALBOXSNKK-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 104956264) is 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is XNFCOALBOXSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-3-2-11(15)6-13(12)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 384.07 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 104956264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).